example 1.11 [WO2014139978]

Ligand id: 9143

Name: example 1.11 [WO2014139978]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 127.62
Molecular weight 531.11
XLogP 2.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hert J, Hunziker D, Mattei P, Mauser H, Tang G, Wang L. (2014)
New octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors.
Patent number: WO2014139978 A1. Assignee: Hoffmann-La Roche Inc.. Priority date: 12/03/2013. Publication date: 18/09/2014.